LiMgBi — Properties & Data | MatWorld

LiMgBi

Name: LiMgBi
Brand: MatWorld

semiconductor

· LiMgBi

LiMgBi is an experimental ternary semiconductor compound combining lithium, magnesium, and bismuth. This material belongs to the family of half-Heusler and related intermetallic semiconductors under active research for thermoelectric and optoelectronic applications. While not yet in mainstream commercial use, LiMgBi represents the broader class of lightweight metal-bismuth compounds being investigated for next-generation energy conversion and quantum material platforms where conventional semiconductors face limitations.

Thermoelectric devices (research)Topological quantum materialsHigh-temperature semiconductor applicationsEnergy harvesting systems (development)Optoelectronic components (experimental)Advanced material research platforms

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Units:

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Method

Property	Value	Unit	Conditions
Bulk Modulus(K)2 entries	31.26	GPa	DFT
↳	32.23	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2200	-	DFT · OptB88vdW
Shear Modulus(G)2 entries	21.23	GPa	DFT
↳	22.40	GPa	DFT · OptB88vdW

N entriesMultiple entries per property — large groups are collapsed; click a summary row to expand. Use filters above to narrow by form, heat treatment, basis, or test environment.

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Property	Value	Unit	Conditions	Source
Density(ρ)	5.045	kg/m³	DFT · OptB88vdW

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)3 entries	0.4000	eV	Measured
↳	0.5340	eV	DFT · OptB88vdW
↳	1.106	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)3 entries	20.94	-	DFT · OptB88vdW
↳	25.05	-	DFT · PBE
↳	25.66 range 23.23–28.09median of 2 measurements	-	DFT · PBEsol
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	15.10	-	DFT · OptB88vdW
↳	10.49	-	DFT · TBmBJ
Electronic Dielectric Tensor(ε∞)	Matrix (redacted)	-	DFT · PBE
Total Dielectric Tensor(ε)	Matrix (redacted)	-	DFT · PBE
Electron Effective Mass(m*e)	0.08000	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	0.5700	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)2 entries	0.2860	C/m²	DFT · OptB88vdW
↳	0.01592	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.000856	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00396	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-76.06	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	264.8	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	33.43	%	DFT · TBmBJ

N entriesMultiple entries per property — large groups are collapsed; click a summary row to expand. Use filters above to narrow by form, heat treatment, basis, or test environment.

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Property	Value	Unit	Conditions	Source
Energy Above Hull(ΔEhull)	0.000	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-0.4803	eV/atom	DFT · OptB88vdW

Verified Unverified Low confidence (<80%) Link to source

Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data

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LiMgBi

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